SCHEMBL4146997

SCHEMBL4146997

CCOC(=O)c1ccc(-c2cccc(C)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAOA P21397 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
PDK2 Q15119 1/20 0.51
MAPT P10636 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29677944 0.92 CA12 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL5556244 0.90 CA12 (0.66) CA12CA1CA2CA7CA9
SCHEMBL13291802 0.89 HSD17B2 (0.51) TDP1L3MBTL1HSD17B1HSD17B2MAPT
SCHEMBL5863201 0.89 TP53 (0.57) TDP1L3MBTL1
SCHEMBL5846397 0.86 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL16351843 0.85 LMNA (0.62) TDP1L3MBTL1CA12CA1CA2
SCHEMBL16351863 0.85 CA12 (0.59) TDP1L3MBTL1CA12CA1CA2
SCHEMBL24106782 0.84 MEN1 (0.70) L3MBTL1CA12CA1CA2CA7
SCHEMBL570961 0.84 MEN1 (0.70) L3MBTL1CA12CA1CA2CA7
SCHEMBL17737152 0.84 ALDH1A1 (0.58) ESR1LMNACYP1A2MAPTMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227565-A1 Biphenyl Vasopressin Agonists WYETH (US) 2009-09-10 US disclosed
US-7465722-B2 Biphenyl vasopressin agonists WYETH (US) 2008-12-16 US disclosed
US-7223752-B2 Biphenyl vasopressin agonists WYETH (US) 2007-05-29 US disclosed
EP-1381370-B1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH CORP (US) 2007-03-07 EP disclosed
US-20060276456-A1 Biphenyl vasopressin agonists WYETH (US) 2006-12-07 US disclosed
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed
EP-1572637-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-09-14 EP disclosed
US-6903091-B2 Biphenyl vasopressin agonists WYETH (US) 2005-06-07 US disclosed
US-20050075328-A1 Biphenyl vasopressin agonists WYETH (US) 2005-04-07 US disclosed
WO-2004052848-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed
EP-1381370-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030018024-A1 Biphenyl vasopressin agonists WYETH 2003-01-23 US disclosed
WO-2002083145-A1 N-BIPHENYLCARBONYL- AND N-PHENYLPYRIDYLCARBONYL SUBSTITUTED BI- AND TRICYCLIC AZEPINES AND DIAZEPINES AS VASOPRESSING AGONISTS WYETH (US) 2002-10-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227565-A1 Biphenyl Vasopressin Agonists AVPR2, AVPR1B, SSTR3 TDP1 4542/4885L3MBTL1 2512/4885CA12 2244/4885
US-20060276456-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 TDP1 4542/4885L3MBTL1 2512/4885CA12 2244/4885
US-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R TDP1 4438/4885L3MBTL1 899/4885CA12 4483/4885
US-20030018024-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, AVPR1A TDP1 4000/4885L3MBTL1 1623/4885CA12 3289/4885
US-20050075328-A1 Biphenyl vasopressin agonists AVPR2, AVPR1B, SSTR3 TDP1 4542/4885L3MBTL1 2512/4885CA12 2244/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.